Ibandronate sodiumProduct ingredient for Ibandronate

Show full entry for Ibandronate
Name
Ibandronate sodium
Drug Entry
Ibandronate

Ibandronate, or BM 21.0955, is a third generation, nitrogen containing bisphosphonate similar to zoledronic acid, minodronic acid, and risedronic acid.1,2 It is used to prevent and treat postmenopausal osteoporosis.11,12 Ibandronate was first described in the literature in 1993 as a treatment for bone loss in dogs.2

Ibandronate was granted FDA approval on 16 May 2003.11

See full entry for Ibandronate
Accession Number
DBSALT000246
Structure
Similar Structures
Synonyms
Ibandronate monosodium monohydrate / Ibandronate sodium / Ibandronate sodium hydrate / Ibandronate sodium monohydrate / Ibandronic acid (as sodium ibandronate) / Ibandronic acid sodium salt / Ibandronic acid sodium salt monohydrate / Ibandronic sodium monohydrate / Sodium ibandronate
UNII
J12U072QL0
CAS Number
138926-19-9
Weight
Average: 359.227
Monoisotopic: 359.08748501
Chemical Formula
C9H24NNaO8P2
InChI Key
VBDRTGFACFYFCT-UHFFFAOYSA-M
InChI
InChI=1S/C9H23NO7P2.Na.H2O/c1-3-4-5-7-10(2)8-6-9(11,18(12,13)14)19(15,16)17;;/h11H,3-8H2,1-2H3,(H2,12,13,14)(H2,15,16,17);;1H2/q;+1;/p-1
IUPAC Name
sodium hydrate hydrogen {1-hydroxy-3-[methyl(pentyl)amino]-1-phosphonopropyl}phosphonate
SMILES
O.[Na+].CCCCCN(C)CCC(O)(P(O)(O)=O)P(O)([O-])=O
PubChem Compound
23670359
ChemSpider
4953639
ChEMBL
CHEMBL3989569
Wikipedia
Ibandronic_acid
Predicted Properties
PropertyValueSource
Water Solubility22.5 mg/mLALOGPS
logP0.42ALOGPS
logP-2.5Chemaxon
logS-1.2ALOGPS
pKa (Strongest Acidic)0.66Chemaxon
pKa (Strongest Basic)9.94Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area141.36 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity70.04 m3·mol-1Chemaxon
Polarizability28.78 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon